SCHEMBL19970486

SCHEMBL19970486

O=C(O)C1=CC2(CCC1S(=O)(=O)Cc1cccc(Cl)c1)O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSD11B1 P28845 1/20 0.33
EPHX2 P34913 1/20 0.33
CXCR3 P49682 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
GLA P06280 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
S100A9 P06702 1/20 0.32
AKR1C3 P42330 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19970508 1.00 TAS2R14 (0.34) TAS2R14TP53KMT2ARXFP1HSD11B1
SCHEMBL19970524 1.00 TAS2R14 (0.34) TAS2R14TP53KMT2ARXFP1HSD11B1
SCHEMBL19970478 0.88 ALDH1A1 (0.40) TAS2R14TP53KMT2AAKR1C3
SCHEMBL19970504 0.88 ALDH1A1 (0.40) TAS2R14TP53KMT2AAKR1C3
SCHEMBL20111171 0.87 KMT2A (0.37) TP53KMT2A
SCHEMBL20111184 0.87 KMT2A (0.37) TP53KMT2A
SCHEMBL19970476 0.87 GRM2 (0.38) KMT2A
SCHEMBL19970533 0.82 LMNA (0.36) KMT2A
SCHEMBL19970525 0.82 LMNA (0.36) KMT2A
SCHEMBL19970507 0.81 P2RX7 (0.31) EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118708-A1 CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
EP-3296296-A1 CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-03-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180118708-A1 CYCLIC COMPOUND TLR4, TLR3, TLR9 TAS2R14 2447/4885TP53 562/4885KMT2A 3879/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.